NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3680 8.0333 115.5087 61.1474 70.2163 173.1869 6 F 5.3813 8.0047 118.9532 53.7298 41.4645 174.2436 7 T 4.3540 9.0672 115.5089 61.1053 70.8388 173.3914 8 A 4.3376 8.5970 125.1209 52.0905 18.7415 177.2378 9 S 4.8435 8.5514 116.5075 56.3986 65.4661 174.8884 10 S 4.5617 8.7812 114.6656 58.9344 62.7501 173.6460 11 L 4.8223 7.5098 119.6084 52.4592 45.3232 175.7761 12 P 4.5227 0.0000 0.0000 62.3794 29.0786 174.7367 13 V 3.9679 7.4052 123.6009 63.2432 32.4899 176.3760 14 S 4.3816 9.0606 123.0275 57.5967 65.3037 174.9782 15 K 3.7888 8.5869 123.9718 59.9672 31.7669 179.1841 16 K 3.9772 7.8883 118.1786 59.1488 31.9720 178.9204 17 L 3.8909 7.5608 120.3076 58.3343 41.9710 178.3958 18 H 3.7161 7.7761 116.2086 58.7148 28.5018 177.5794 19 K 3.9159 8.4270 121.5319 59.3635 32.0992 178.3086 20 L 3.9257 7.8679 120.5583 58.4068 41.9951 179.0573 21 L 3.9220 7.8496 119.8939 57.3587 41.5324 179.5809 22 S 4.1775 8.5591 113.6293 60.9375 62.2103 175.9734 23 E 4.0500 8.5174 121.1986 59.2380 29.7485 179.0195 24 Q 4.0124 8.2457 118.8013 58.7685 28.5402 178.1911 25 L 4.1351 7.7276 119.7512 58.1022 41.7542 179.3313 26 T 3.9844 7.5690 113.7013 66.6565 68.5043 176.4104 27 A 4.1330 7.9987 121.2292 53.5327 18.4999 177.1932 28 H 4.4140 8.2676 110.5208 56.3718 30.8390 173.6747 *40 Y 4.9333 8.4438 121.3475 58.1257 40.5167 174.4154 41 L 4.8735 8.6455 125.8884 52.7718 45.7974 175.5001 42 V 4.6194 8.3813 122.9956 61.0127 34.3493 173.9983 43 F 5.2136 9.6408 126.6229 55.7556 41.6695 174.2442 44 N 5.5639 8.9543 120.3733 51.4469 42.2219 173.3638 45 F 5.2849 9.4782 121.7396 55.7431 42.6249 174.2689 46 R 5.2299 9.6590 123.1429 54.8956 34.2151 173.2397 47 D 5.2922 9.0629 125.6156 52.6323 41.7645 177.0816 48 K 4.1327 9.7728 127.5647 59.2830 32.7475 178.1335 49 S 4.4278 8.1921 112.9181 58.8147 63.5969 173.8032 50 Y 4.7705 8.3274 123.6940 57.5951 38.9664 175.1071 51 S 4.2278 7.8483 119.7093 56.3930 66.4249 174.8201 52 A 3.3876 7.4104 123.2728 55.2274 18.0954 178.7623 53 D 4.3073 7.7849 113.4456 56.6324 41.3933 176.5855 54 E 4.3785 7.9725 115.8790 54.9219 31.7077 177.9965 55 G 3.7746 8.5337 108.2602 45.7947 0.0000 169.9287 56 G 4.0248 8.3730 105.7505 44.3863 0.0000 172.4493 57 F 4.3918 8.5534 119.1347 56.1645 40.1996 175.6301 58 H 4.0013 8.5774 122.1081 54.8190 29.4803 173.6576 59 P 5.0205 0.0000 0.0000 63.1421 32.8701 175.1472 60 V 5.2613 9.1381 121.1379 61.3233 35.0892 173.7620 61 E 5.5240 9.6977 127.8322 54.9166 33.1871 174.2164 62 M 5.3833 9.5055 124.7625 53.6240 36.7643 174.0078 63 A 5.0649 8.0903 123.6861 49.9144 22.6182 174.9772 64 I 5.2293 8.6264 115.0120 59.1928 41.5188 174.2427 65 C 5.2906 9.3566 118.2726 56.5648 33.1401 172.7516 66 Q 3.6019 8.0111 124.2797 55.5355 29.1522 175.8927 67 T 4.2401 8.9696 118.7917 60.4385 70.1472 175.4894 68 S 4.2294 8.3066 115.2966 60.1534 63.1329 175.1246 69 T 4.0108 7.4181 111.0654 62.5557 68.9931 175.6610 70 G 3.8918 7.9724 110.6223 45.0262 0.0000 173.6909 71 E 4.4901 7.6463 119.3401 55.6935 31.6864 175.4916 72 W 5.1398 9.2631 122.3061 55.3447 31.4195 175.3005 73 S 5.1842 9.1070 121.9057 56.0763 64.2426 173.8299 74 I 4.1118 8.4443 126.3527 62.0330 36.8985 175.8930 75 E 4.5001 10.0187 128.8814 59.0742 30.4272 176.3084 76 Y 5.4271 7.3371 115.0510 56.2834 41.5560 172.9259 77 I 5.2144 9.3280 121.2898 60.1061 40.8705 174.6855 78 T 4.8707 9.5113 123.4146 61.5586 72.6268 172.3592 79 D 5.3484 8.6940 124.7771 52.5157 43.9603 174.6272 80 F 5.4644 9.0456 123.8122 56.0067 42.0484 174.5991 81 A 4.8491 8.9807 121.7739 50.5621 23.0662 175.2417 82 Y 4.5942 9.1413 118.6681 58.4548 38.5749 175.5543 83 M 4.7167 8.7471 124.0516 54.4652 34.2811 175.4719 84 G 3.9344 9.1124 109.5743 44.8821 0.0000 172.8466 85 N 4.7363 8.5680 114.0146 52.4665 37.7509 174.5716 86 Y 4.3206 7.7289 120.1073 57.2957 40.5503 174.2032 87 Y 3.4103 7.7742 127.5344 58.1458 35.3481 170.1149 88 P 4.6043 0.0000 0.0000 63.0455 33.0071 177.1985 89 E 4.8658 8.7950 122.0124 54.4764 32.4699 174.3559 90 L 4.3017 8.4014 126.9829 55.0253 42.6356 175.7374 91 E 4.9505 9.2161 125.1577 53.9089 34.3255 175.0675 92 R 3.8381 8.8166 121.7689 57.7610 30.1447 175.1848 93 N 4.6668 9.3572 125.7494 55.1017 40.7069 174.4266 94 L 4.9126 7.2995 119.2789 53.2614 46.2103 174.3096 95 D 4.6862 8.3538 124.7908 52.8771 44.6634 174.0170 96 F 4.7706 9.1856 126.8290 56.2807 40.2907 174.4963 97 D 5.2484 9.2626 126.4705 52.8570 40.0299 176.6224 98 F 4.1964 9.0473 121.8608 59.1535 38.9886 176.6551 99 R 4.2031 8.5599 118.3410 58.9428 30.5367 178.0982 100 V 3.5887 8.3636 119.2144 64.0707 32.4148 176.0962 101 G 3.7886 9.0088 107.6029 45.7388 0.0000 172.4550 102 Q 5.3124 7.6911 115.0065 54.3877 32.9737 174.7995 103 F 5.5374 9.3596 115.3713 55.0961 41.8510 173.4070 104 F 4.3883 8.7371 122.0826 55.9635 42.4667 173.7318 105 V 4.1526 6.7536 124.4262 60.2595 33.9506 174.5712 106 A 3.2516 7.6445 130.2903 54.0430 18.5034 176.5616 107 Y 3.7307 7.7442 117.5145 58.7678 35.4380 170.6526 108 R 4.3876 7.4224 116.0473 54.5566 33.0859 176.5870 109 G 3.7778 7.3493 106.3097 44.2949 0.0000 171.7504 110 W 5.0049 8.5119 117.7285 55.2737 31.1888 175.9690 111 L 4.9093 8.2147 121.8570 51.9557 45.9007 174.1845 112 P 4.7373 0.0000 0.0000 64.0125 31.6433 176.1339 113 M 4.4240 9.2019 122.1263 57.8924 32.6805 177.0836 114 Q 4.1303 8.2233 116.0400 57.6767 29.0605 177.2329 115 G 3.8440 8.8445 109.2913 46.1725 0.0000 173.5731 116 S 4.3620 8.0290 115.4304 57.2300 63.1012 174.1793 117 R 3.8772 8.7078 129.7099 59.6799 29.7673 177.5079 118 D 4.2767 8.1517 116.7712 57.5512 41.2682 178.0586 119 A 3.3820 7.9213 121.0411 54.7204 18.1467 179.7231 120 K 3.9069 8.0368 117.0295 59.7007 32.1565 179.4973 121 E 3.9575 8.1796 118.8376 59.0841 29.4425 178.8995 122 L 3.9965 8.2301 120.8596 58.4672 42.0805 178.5114 123 Y 3.8202 8.3815 119.6526 60.6984 38.6177 178.0611 124 R 3.8173 8.2543 119.2056 59.1213 30.1133 178.8928 125 L 3.8464 8.0235 120.0917 57.6517 42.1389 178.5045 126 W 4.0678 8.1013 128.4000 60.6402 30.5885 177.5925 127 E 3.3117 8.1488 119.3318 58.8746 29.0023 178.2773 128 S 3.8633 7.9547 113.5812 61.6436 62.3174 176.1339 129 N 3.6853 7.8024 118.7348 55.8333 38.1315 177.0278 130 F 3.5830 7.5058 122.2007 61.2466 39.2885 177.1166 131 L 3.4876 7.8140 118.4752 57.5840 41.1817 179.5001 132 A 3.8077 7.3724 120.6445 55.2062 18.2486 179.3116 133 Y 4.0026 7.6651 115.6968 61.0413 37.9779 178.8401 134 V 3.4474 7.4261 119.2432 66.2151 31.3703 177.9275 135 D 4.4156 7.7267 117.1489 56.5365 40.5673 177.4756 136 M 4.3429 7.1925 115.9710 54.3898 31.6436 175.5318 137 D 4.3572 7.7873 116.5197 55.8023 38.9655 175.4069 138 A 3.4932 7.6429 124.3531 54.6519 18.2085 178.4335 139 Y 4.6716 7.4270 114.2586 57.1451 36.7823 174.7123 140 N 4.8912 8.5471 120.4781 52.9799 38.8307 174.9449 141 E 4.9216 8.7301 120.3866 54.9336 33.6917 174.4870 142 I 5.2059 8.4954 116.5106 59.2228 41.2383 174.3620 143 A 4.6920 8.8291 124.1262 50.3936 22.8424 174.9913 144 I 4.5305 8.2277 120.9737 59.5901 40.2065 175.0784 145 T 4.5247 8.6869 123.2778 61.5685 71.2365 174.4470 146 A 4.4226 8.5324 128.2820 52.2391 19.3439 175.8209 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 T 8.03 4.37 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 6 F 8.00 5.38 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 9.07 4.35 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 8 A 8.60 4.34 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.55 4.84 0.00 4.07 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.78 4.56 0.00 4.04 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.51 4.82 0.00 1.46 1.11 0.42 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.52 0.00 2.22 2.10 0.00 3.71 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 13 V 7.41 3.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.39 0.00 0.00 14 S 9.06 4.38 0.00 4.04 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.59 3.79 0.00 1.81 1.84 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.59 7.81 16 K 7.89 3.98 0.00 1.76 1.76 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.44 7.81 17 L 7.56 3.89 0.00 1.67 1.62 0.90 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 18 H 7.78 3.72 0.00 3.30 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.43 3.92 0.00 1.89 1.91 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.45 7.81 20 L 7.87 3.93 0.00 1.77 1.82 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.85 3.92 0.00 1.82 1.35 0.66 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.56 4.18 0.00 4.18 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.52 4.05 0.00 2.23 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.33 0.00 24 Q 8.25 4.01 0.00 2.51 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.77 2.71 0.00 25 L 7.73 4.14 0.00 1.89 1.76 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.57 3.98 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 27 A 8.00 4.13 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.27 4.41 0.00 3.15 3.04 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *40 Y 8.44 4.93 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.65 4.87 0.00 1.34 0.88 0.08 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.38 4.62 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.93 0.00 0.00 43 F 9.64 5.21 0.00 2.93 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.95 5.56 0.00 2.64 2.71 0.00 0.00 6.47 8.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.48 5.28 0.00 2.75 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 9.66 5.23 0.00 1.99 2.00 0.00 3.21 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 47 D 9.06 5.29 0.00 2.93 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.77 4.13 0.00 1.93 2.31 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.44 7.81 49 S 8.19 4.43 0.00 4.07 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.33 4.77 0.00 3.17 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.85 4.23 0.00 3.72 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.41 3.39 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.78 4.31 0.00 2.47 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.97 4.38 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 55 G 8.53 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.37 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.55 4.39 0.00 2.56 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.58 4.00 0.00 3.22 3.51 0.00 5.72 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 5.02 0.00 2.36 2.40 0.00 3.98 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.16 0.00 60 V 9.14 5.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.31 0.00 0.00 61 E 9.70 5.52 0.00 2.43 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 62 M 9.51 5.38 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 63 A 8.09 5.06 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.63 5.23 2.23 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.90 1.12 0.00 0.00 65 C 9.36 5.29 0.00 3.13 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.01 3.60 0.00 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.05 0.00 0.00 0.00 0.00 0.00 1.80 1.50 0.00 67 T 8.97 4.24 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 68 S 8.31 4.23 0.00 3.95 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.42 4.01 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 70 G 7.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 7.65 4.49 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 72 W 9.26 5.14 0.00 2.82 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 9.11 5.18 0.00 3.80 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.44 4.11 1.33 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.35 0.66 0.00 0.00 75 E 10.02 4.50 0.00 1.91 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.80 0.00 76 Y 7.34 5.43 0.00 3.19 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 9.33 5.21 2.16 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.01 0.70 0.00 0.00 78 T 9.51 4.87 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 79 D 8.69 5.35 0.00 2.75 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 9.05 5.46 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.98 4.85 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 9.14 4.59 0.00 2.92 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 M 8.75 4.72 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.96 0.00 84 G 9.11 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.57 4.74 0.00 2.86 2.94 0.00 0.00 5.71 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.73 4.32 0.00 2.90 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.77 3.41 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.60 0.00 2.29 2.33 0.00 3.59 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.05 0.00 89 E 8.80 4.87 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 90 L 8.40 4.30 0.00 1.26 1.42 0.61 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 91 E 9.22 4.95 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 92 R 8.82 3.84 0.00 1.75 1.77 0.00 2.31 0.00 0.00 2.71 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.28 0.00 93 N 9.36 4.67 0.00 2.86 3.05 0.00 0.00 6.13 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.30 4.91 0.00 1.55 1.04 0.71 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.35 4.69 0.00 2.41 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 F 9.19 4.77 0.00 2.87 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 D 9.26 5.25 0.00 3.03 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 9.05 4.20 0.00 3.28 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.56 4.20 0.00 2.17 2.00 0.00 3.50 0.00 0.00 3.29 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.04 0.00 100 V 8.36 3.59 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.88 0.00 0.00 101 G 9.01 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.69 5.31 0.00 2.41 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 103 F 9.36 5.54 0.00 2.85 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 8.74 4.39 0.00 1.51 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 6.75 4.15 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.86 0.00 0.00 106 A 7.64 3.25 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.74 3.73 0.00 3.17 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.42 4.39 0.00 1.62 1.70 0.00 3.11 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 109 G 7.35 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 W 8.51 5.00 0.00 3.12 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.21 4.91 0.00 0.74 1.39 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.74 0.00 2.15 2.11 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 113 M 9.20 4.42 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.60 0.00 114 Q 8.22 4.13 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.32 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 115 G 8.84 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.03 4.36 0.00 4.03 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.71 3.88 0.00 1.93 1.94 0.00 3.26 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 118 D 8.15 4.28 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.92 3.38 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.04 3.91 0.00 1.97 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.60 7.81 121 E 8.18 3.96 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 122 L 8.23 4.00 0.00 1.91 1.82 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 8.38 3.82 0.00 2.57 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 8.25 3.82 0.00 1.94 1.94 0.00 3.21 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 125 L 8.02 3.85 0.00 1.76 1.75 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 126 W 8.10 4.07 0.00 3.58 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.15 3.31 0.00 1.28 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 128 S 7.95 3.86 0.00 3.83 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 7.80 3.69 0.00 2.42 2.00 0.00 0.00 6.73 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 F 7.51 3.58 0.00 1.51 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 7.81 3.49 0.00 1.50 1.49 0.80 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.37 3.81 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 7.67 4.00 0.00 2.83 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.43 3.45 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 -0.05 0.00 0.00 135 D 7.73 4.42 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 M 7.19 4.34 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 137 D 7.79 4.36 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.64 3.49 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 7.43 4.67 0.00 3.09 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 N 8.55 4.89 0.00 2.75 2.95 0.00 0.00 6.05 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.73 4.92 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 142 I 8.50 5.21 1.65 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.59 1.05 0.00 0.00 143 A 8.83 4.69 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.23 4.53 1.68 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.60 0.39 0.00 0.00 145 T 8.69 4.52 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 146 A 8.53 4.42 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.